SCHEMBL16902810

SCHEMBL16902810

CCc1cc(C)cc2c1O[C@H](C(F)(F)F)C(C(=O)Cl)=C2

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.58
PTGS1 P23219 15/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16902790 0.88 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5644491 0.88 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL16893833 0.85 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL16893830 0.85 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL5645571 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL16902795 0.84 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL16893930 0.84 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL16893929 0.84 PTGS2 (0.82) PTGS2PTGS1
SCHEMBL16893571 0.83 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL16893575 0.83 PTGS2 (0.81) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340330-A1 NO-RELEASING NITROOXY-CHROMENE CONJUGATES Euclises Pharmaceuticals, Inc. 2016-11-24 US disclosed
US-20150197500-A1 NO-RELEASING GUANIDINE-CHROMENE CONJUGATES EUCLISES PHARMACEUTICALS INC (US) 2015-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150197500-A1 NO-RELEASING GUANIDINE-CHROMENE CONJUGATES ARG1, ARGLU1, CGAS PTGS2 1336/4885PTGS1 901/4885
US-20160340330-A1 NO-RELEASING NITROOXY-CHROMENE CONJUGATES NOS1, NOS2, NOS3 PTGS2 608/4885PTGS1 209/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.